Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN

Kazuhiro Shimada, Atsuhito Zenpuku, Kazuya Fujiwara, Kouji Hazu, Shigefusa F. Chichibu, Masahiro Hata, Hiroyuki Sazawa, Tomoyuki Takada, Takayuki Sota

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

First-principles calculations are carried out to estimate the spontaneous polarization and the energy band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. The ground state properties of alloys are computed by using the pseudopotential-planewave method in conjunction with generalized gradient approximation to density functional theory. We find nonlinear behavior of the spontaneous polarization and the band gap energies in Y xAlyGa1-x-yN alloys and the values depend on the atomic geometry in the unit cell, especially on that of yttrium.

Original languageEnglish
Article number074114
JournalJournal of Applied Physics
Volume110
Issue number7
DOIs
Publication statusPublished - 2011 Oct 1

    Fingerprint

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Shimada, K., Zenpuku, A., Fujiwara, K., Hazu, K., Chichibu, S. F., Hata, M., Sazawa, H., Takada, T., & Sota, T. (2011). Spontaneous polarization and band gap bowing in YxAl yGa1-x-yN alloys lattice-matched to GaN. Journal of Applied Physics, 110(7), [074114]. https://doi.org/10.1063/1.3651154